CID 6477130

Nsc638116

Structural Information

Molecular Formula
C18H15NO2Se
SMILES
CCOC(=O)/C(=C/C1=CC(=CC=C1)C#N)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C18H15NO2Se/c1-2-21-18(20)17(22-16-9-4-3-5-10-16)12-14-7-6-8-15(11-14)13-19/h3-12H,2H2,1H3/b17-12-
InChIKey
QPIAMMDDDVFZSB-ATVHPVEESA-N
Compound name
ethyl (Z)-3-(3-cyanophenyl)-2-phenylselanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0268 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.03408 185.6
[M+Na]+ 380.01602 193.3
[M-H]- 356.01952 189.8
[M+NH4]+ 375.06062 198.3
[M+K]+ 395.98996 186.6
[M+H-H2O]+ 340.02406 170.4
[M+HCOO]- 402.02500 202.8
[M+CH3COO]- 416.04065 214.2
[M+Na-2H]- 378.00147 185.8
[M]+ 357.02625 181.2
[M]- 357.02735 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.